Information card for entry 2240949

Structure parameters

• Common name: Pyriproxyfen
• Chemical name: 4-Phenoxyphenyl (<i>RS</i>)-2-[(pyridin-2-yl)oxy]propyl ether
• Formula: C20 H19 N O3
• Calculated formula: C20 H19 N O3
• SMILES: O(c1ncccc1)C(C)COc1ccc(Oc2ccccc2)cc1
• Title of publication: Crystal structure of pyriproxyfen
• Authors of publication: Kang, Gihaeng; Kim, Jineun; Park, Hyunjin; Kim, Tae Ho
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 8
• Pages of publication: o588
• a: 10.0676 ± 0.0002 Å
• b: 8.0279 ± 0.0001 Å
• c: 40.9129 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3306.65 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes